CID 212038

23804-98-0

Structural Information

Molecular Formula

C₁₄H₁₉N₃O₂

SMILES

C1CN(CCC12CNC(=O)O2)CCC3=CC=CC=N3

InChI

InChI=1S/C14H19N3O2/c18-13-16-11-14(19-13)5-9-17(10-6-14)8-4-12-3-1-2-7-15-12/h1-3,7H,4-6,8-11H2,(H,16,18)

InChIKey

VOHHDIWNVKPOJT-UHFFFAOYSA-N

Compound name

8-(2-pyridin-2-ylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.14774 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	262.155016	161.4
[M+Na]+	284.136958	166.6
[M-H]-	260.140464	164.3
[M+NH4]+	279.181563	175.3
[M+K]+	300.110898	163.4
[M+H-H2O]+	244.145000	151.6
[M+HCOO]-	306.145941	174.9
[M+CH3COO]-	320.161591	170.9
[M+Na-2H]-	282.122406	164.7
[M]+	261.14719142	155.4
[M]-	261.14828858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.